(3-fluoranyl-4-methoxy-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C20H22FNO5S MolecularWeight: 407.455783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C20H22FNO5S/c1-26-19-8-7-15(13-18(19)21)14-27-20(23)16-9-11-22(12-10-16)28(24,25)17-5-3-2-4-6-17/h2-8,13,16H,9-12,14H2,1H3